SCHEMBL10216641

SCHEMBL10216641

CCC(=O)CCCCCNC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP2 P42575 1/20 0.40
ADRA1A P35348 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
PRMT1 Q99873 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
NAAA Q02083 1/20 0.38
PLA2G2A P14555 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10220621 0.92 POLB (0.46) EPHX1MEN1KMT2APOLBALDH1A1
SCHEMBL7800974 0.87 MEN1 (0.45) EPHX1MEN1KMT2APOLBALDH1A1
SCHEMBL686083 0.84 POLB (0.41) EPHX1MEN1KMT2APOLBALDH1A1
SCHEMBL10633351 0.84 MEN1 (0.58) EPHX1MEN1KMT2APOLBALDH1A1
SCHEMBL18622113 0.82 POLB (0.57) EPHX1MEN1KMT2APOLBALDH1A1
SCHEMBL8139448 0.81 POLB (0.44) EPHX1MEN1KMT2APOLBALDH1A1
SCHEMBL25868825 0.81 MEN1 (0.47) EPHX1MEN1KMT2APOLBALDH1A1
SCHEMBL10172327 0.81 MEN1 (0.47) EPHX1MEN1KMT2APOLBALDH1A1
SCHEMBL15981919 0.81 ADRA1A (0.62) MEN1KMT2APOLBADRA1AMAPK1
SCHEMBL24376776 0.80 EPHX1 (0.68) EPHX1MEN1KMT2APOLBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046223-A1 EXOGENOUSLY TRIGGERED CONTROLLED RELEASE MATERIALS AND USES THEREOF SMARTCELLS, INC. 2012-02-23 US disclosed
US-20110281939-A1 POLYNUCLEOTIDE APTAMER-BASED CROSS-LINKED MATERIALS AND USES THEREOF SMARTCELLS, INC. 2011-11-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110281939-A1 POLYNUCLEOTIDE APTAMER-BASED CROSS-LINKED MATERIALS AND USES THEREOF PNKP, ADAR, NCL EPHX1 3653/4885MEN1 4273/4885KMT2A 1178/4885
US-20120046223-A1 EXOGENOUSLY TRIGGERED CONTROLLED RELEASE MATERIALS AND USES THEREOF CD63, NSF, MSN EPHX1 1065/4885MEN1 2408/4885KMT2A 3348/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.